0.15.1 More Force Field Updates!
We added Lipid21 in PR #390 and updated the default SMIRNOFF force field to be openff-2.2.1 in PR #417
We removed the ff19ipq force field since it is not supported by Amber, see PR #419 for details.
We now support any barostat in SystemGenerator, see PR #414 for details.
More details below 👇
What's Changed
- Bump actions/checkout from 4 to 5 by @dependabot[bot] in #402
- Using stdlib
importlib.resourcesinstead ofimportlib_resourcesby @ijpulidos in #403 - Add Lipid21 by @epretti in #390
- Fix CI, update docstrings by @mattwthompson in #408
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #407
- Allow for any barostat in SystemGenerator by @hannahbaumann in #414
- Bump OpenMM versions in CI to include 8.4.0 by @epretti in #418
- Make default SMIRNOFF force field
openff-2.2.1by @epretti in #417 - Remove ff19ipq by @epretti in #419
- Bump actions/checkout from 5 to 6 by @dependabot[bot] in #420
- Release 0.15.1 by @mikemhenry in #425
New Contributors
- @hannahbaumann made their first contribution in #414
Full Changelog: 0.15.0...0.15.1